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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM30027'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair